N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C18H14F2N2O2S2 — CID 4558641

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O2S2/c19-17(20)24-14-8-6-13(7-9-14)21-16(23)11-26-18-22-15(10-25-18)12-4-2-1-3-5-12/h1-10,17H,11H2,(H,21,23)
InChIKeyPQZYVSLBPHOKAN-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.14
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 4558641) has the molecular formula C18H14F2N2O2S2 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID4558641
Molecular FormulaC18H14F2N2O2S2
Molecular Weight392.45 g/mol
Exact Mass392.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F2N2O2S2/c19-17(20)24-14-8-6-13(7-9-14)21-16(23)11-26-18-22-15(10-25-18)12-4-2-1-3-5-12/h1-10,17H,11H2,(H,21,23)
InChIKeyPQZYVSLBPHOKAN-UHFFFAOYSA-N
XLogP5.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 4558641) is N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PQZYVSLBPHOKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S2/c19-17(20)24-14-8-6-13(7-9-14)21-16(23)11-26-18-22-15(10-25-18)12-4-2-1-3-5-12/h1-10,17H,11H2,(H,21,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 392.45 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4558641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).